N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide

C8H17NO2S — CID 123578726

IUPACN,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide
SMILESCCN(CC)C(=O)C(O)CSC
InChIInChI=1S/C8H17NO2S/c1-4-9(5-2)8(11)7(10)6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyAURBJZRUGUPSJM-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.58
Rot. Bonds5

About N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide

N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide (PubChem CID 123578726) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide
PubChem CID123578726
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide
SMILESCCN(CC)C(=O)C(O)CSC
InChIInChI=1S/C8H17NO2S/c1-4-9(5-2)8(11)7(10)6-12-3/h7,10H,4-6H2,1-3H3
InChIKeyAURBJZRUGUPSJM-UHFFFAOYSA-N
XLogP0.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide (CID 123578726) is N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide is CCN(CC)C(=O)C(O)CSC.
What is the InChIKey of N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide?
The InChIKey is AURBJZRUGUPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-9(5-2)8(11)7(10)6-12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide?
N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide has a molecular weight of 191.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-3-methylsulfanylpropanamide is sourced from PubChem (CID 123578726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).